N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine

C12H14N2O2 — CID 21179037

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc2c(cc1NC1=NCCC1)OCCO2
InChIInChI=1S/C12H14N2O2/c1-2-12(13-5-1)14-9-3-4-10-11(8-9)16-7-6-15-10/h3-4,8H,1-2,5-7H2,(H,13,14)
InChIKeyFUBYFAAOTCQQGB-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.06
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 21179037) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID21179037
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc2c(cc1NC1=NCCC1)OCCO2
InChIInChI=1S/C12H14N2O2/c1-2-12(13-5-1)14-9-3-4-10-11(8-9)16-7-6-15-10/h3-4,8H,1-2,5-7H2,(H,13,14)
InChIKeyFUBYFAAOTCQQGB-UHFFFAOYSA-N
XLogP2.06
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 73242471
N-(4-bromo-3-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 82868277
N-(9H-fluoren-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 78909221
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
2-N,2-N',4-N,4-N',6-N,6-N'-hexakis(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
CID 102502669
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907216
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 60727080
methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
CID 112989260
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508059
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385958
N-[4-(2-aminoethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 115023155
N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 659842

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 21179037) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine is c1cc2c(cc1NC1=NCCC1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is FUBYFAAOTCQQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-12(13-5-1)14-9-3-4-10-11(8-9)16-7-6-15-10/h3-4,8H,1-2,5-7H2,(H,13,14).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 21179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).